Umeclidinium Bromide Impurity 4

CAT: 1299-RM-U130504-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-U130504-01Size:10 mg

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CAS Number

461648-39-5

Synonyms

Diphenyl (quinuclidin-4-yl) methanol

Molecular Formula

C20H23NO

Molecular Weight

293.4

Target Alternative Name

Umeclidinium Bromide

Product Name Synonym

Diphenyl (quinuclidin-4-yl) methanol

Chemical Information

1-Azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol

CAS Number	461648-39-5
PubChem CID	23992385
IUPAC Name	1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
Molecular Formula	C20H23NO
Molecular Weight	293.4
XLogP	3.3
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	341

SMILES

C1CN2CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2

InChIKey

VUUAKOZGGDHCRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 461648-39-5

CID: 23992385

Formula: C20H23NO

MW: 293.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.4
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	293.177964357
Monoisotopic Mass	293.177964357
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	341
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-U130507-01	Umeclidinium Bromide Impurity 7
RM-U130522-01	Umeclidinium Bromide Impurity 22
RM-U130502-01	Umeclidinium Bromide Impurity 2
RM-U130501-01	Umeclidinium Bromide Impurity 1
RM-U130529-01	Umeclidinium bromide Impurity 29
RM-U130508-01	Umeclidinium Bromide Impurity 8
RM-U130506-01	Umeclidinium Bromide Impurity 6
RM-U130503-01	Umeclidinium Bromide Impurity 3
RM-U130517-01	Umeclidinium Bromide Impurity 17
RM-U130515-01	Umeclidinium Bromide Impurity 15

Catalog	Name
AR-U01177-01	Umeclidinium Bromide Impurity 11 Bromide
AR-U01225-01	Umeclidinium Bromide Impurity 6 Bromide
AR-U01227-01	Umeclidinium Bromide Impurity 12 Bromide
AR-C03103-01	Umeclidinium Bromide Impurity 3
AR-C03106-01	Umeclidinium Bromide Impurity 6
AR-U01219-01	Umeclidinium Bromide Impurity 19
AR-U01220-01	Umeclidinium Bromide Impurity 20
AR-U01226-01	Umeclidinium Bromide Impurity 8
AR-U01216-01	Umeclidinium Bromide Impurity 16
AR-U01221-01	Umeclidinium Bromide Impurity 21